Geometry & MOs

Info

ID:	246737
PubChem CID:	103064755
Reduced:	BrOSN3C13H18 (1)
Stoich.:	ABCD3E13F18 (1)
Weight, g/mol:	299.085911
ΔH_f, kcal/mol:	-27.2
Dipole, Da:	3.28
IP(EA), eV:	-8.82(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-(propylamino)-N-(thiolan-3-yl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC1=C(C=C(C=N1)Br)C(=O)NC2CCSC2

DOS

IR

Vibrations